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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214045

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1214045
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Ge', 'Au']
  • Chemical System: Au-Ca-Ge
  • Density: 11.443228594632489
  • Atomic Density: 0.047334513610644176
  • Unit Cell Volume: 591.5345456027587
  • Molar Volume: 12.722515350080185
  • Full Formula: Ca6 Ge4 Au18
  • Reduced Formula: Ca3Ge2Au9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -104.08333162
  • Final energy per atom: -3.7172618435714284
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.